(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide

C21H24N2O2 — CID 38691544

IUPAC(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-25-20-12-5-17(6-13-20)7-14-21(24)22-18-8-10-19(11-9-18)23-15-3-4-16-23/h5-14H,2-4,15-16H2,1H3,(H,22,24)/b14-7+
InChIKeyDERQYHOCXYYVGC-VGOFMYFVSA-N
MW336.44 g/mol
LogP4.34
Rot. Bonds6

About (E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide (PubChem CID 38691544) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
PubChem CID38691544
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-25-20-12-5-17(6-13-20)7-14-21(24)22-18-8-10-19(11-9-18)23-15-3-4-16-23/h5-14H,2-4,15-16H2,1H3,(H,22,24)/b14-7+
InChIKeyDERQYHOCXYYVGC-VGOFMYFVSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 46525062
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 806937
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7550286
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methylprop-2-enoxy)phenyl]prop-2-enamide
CID 17227148
4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide
CID 17234449
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 78791975
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide (CID 38691544) is (E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The InChIKey is DERQYHOCXYYVGC-VGOFMYFVSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-25-20-12-5-17(6-13-20)7-14-21(24)22-18-8-10-19(11-9-18)23-15-3-4-16-23/h5-14H,2-4,15-16H2,1H3,(H,22,24)/b14-7+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 38691544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).